Fluorine in PDB 8fvf: Bromodomain of EP300 Liganded with Ccs-1477

All present enzymatic activity of Bromodomain of EP300 Liganded with Ccs-1477:
2.3.1.48;

The structure of Bromodomain of EP300 Liganded with Ccs-1477, PDB code: 8fvf was solved by E.Schonbrunn, M.Bikowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.74 / 2.10
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.15, 103.15, 59.22, 90, 90, 90
R / Rfree (%)	18.1 / 23.9

The structure of Bromodomain of EP300 Liganded with Ccs-1477 also contains other interesting chemical elements:

Nickel

(Ni)

9 atoms

The binding sites of Fluorine atom in the Bromodomain of EP300 Liganded with Ccs-1477 (pdb code 8fvf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Bromodomain of EP300 Liganded with Ccs-1477, PDB code: 8fvf:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Bromodomain of EP300 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bromodomain of EP300 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:26.6 occ:1.00 FBL A:JHL1201 0.0 26.6 1.0 CBG A:JHL1201 1.4 25.4 1.0 CBF A:JHL1201 2.4 22.0 1.0 CBH A:JHL1201 2.4 23.3 1.0 FBK A:JHL1201 2.8 28.7 1.0 CD2 A:TYR1141 3.1 25.5 1.0 CG A:ARG1137 3.2 33.2 1.0 CE2 A:TYR1141 3.4 27.9 1.0 CG A:PRO1074 3.5 20.1 1.0 CG2 A:VAL1138 3.6 26.4 1.0 CBE A:JHL1201 3.6 24.1 1.0 N A:VAL1138 3.7 21.8 1.0 CBI A:JHL1201 3.7 25.8 1.0 CA A:VAL1138 3.8 24.7 1.0 C A:ARG1137 3.8 26.1 1.0 CB A:ARG1137 3.9 24.3 1.0 CG A:TYR1141 4.0 23.8 1.0 O A:ARG1137 4.0 22.4 1.0 CD A:ARG1137 4.1 35.6 1.0 CBJ A:JHL1201 4.1 22.4 1.0 NE A:ARG1137 4.2 34.2 1.0 CD A:PRO1074 4.2 19.8 1.0 CB A:VAL1138 4.3 21.4 1.0 CZ A:TYR1141 4.4 28.6 1.0 O A:HOH1375 4.5 25.5 1.0 CB A:PRO1074 4.5 20.2 1.0 CB A:TYR1141 4.5 24.0 1.0 CA A:ARG1137 4.5 22.0 1.0 CZ A:ARG1137 4.5 37.2 1.0 NH1 A:ARG1137 4.7 38.6 1.0 CD1 A:TYR1141 4.8 28.7 1.0 NAZ A:JHL1201 4.9 23.8 1.0 CE1 A:TYR1141 5.0 25.2 1.0

Fluorine binding site 2 out of 4 in the Bromodomain of EP300 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Bromodomain of EP300 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:28.7 occ:1.00 FBK A:JHL1201 0.0 28.7 1.0 CBH A:JHL1201 1.4 23.3 1.0 CBI A:JHL1201 2.4 25.8 1.0 CBG A:JHL1201 2.4 25.4 1.0 FBL A:JHL1201 2.8 26.6 1.0 CE2 A:TYR1141 3.1 27.9 1.0 CD2 A:TYR1141 3.3 25.5 1.0 CD A:PRO1074 3.3 19.8 1.0 O A:PRO1070 3.5 25.9 1.0 CBJ A:JHL1201 3.6 22.4 1.0 CG A:PRO1074 3.6 20.1 1.0 CBF A:JHL1201 3.7 22.0 1.0 CB A:LEU1073 4.0 22.9 1.0 CBE A:JHL1201 4.1 24.1 1.0 NH1 A:ARG1137 4.2 38.6 1.0 CB A:PRO1070 4.3 25.4 1.0 CZ A:TYR1141 4.3 28.6 1.0 N A:PRO1074 4.3 18.2 1.0 C A:PRO1070 4.4 28.1 1.0 CZ A:ARG1137 4.6 37.2 1.0 O A:HOH1310 4.7 29.7 1.0 CG A:TYR1141 4.7 23.8 1.0 CAW A:JHL1201 4.7 22.5 1.0 OH A:TYR1141 4.8 31.8 1.0 CB A:PRO1074 4.8 20.2 1.0 CD1 A:LEU1073 4.8 24.9 1.0 CA A:LEU1073 4.8 22.5 1.0 CG A:LEU1073 4.8 24.5 1.0 C A:LEU1073 4.9 19.9 1.0 CG A:ARG1137 4.9 33.2 1.0 CG A:PRO1070 4.9 29.6 1.0 CA A:PRO1070 4.9 28.8 1.0 N A:LEU1073 4.9 19.4 1.0

Fluorine binding site 3 out of 4 in the Bromodomain of EP300 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Bromodomain of EP300 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:25.1 occ:1.00 FBL B:JHL1201 0.0 25.1 1.0 CBG B:JHL1201 1.4 20.9 1.0 CBF B:JHL1201 2.4 24.5 1.0 CBH B:JHL1201 2.4 20.9 1.0 FBK B:JHL1201 2.7 22.4 1.0 CD2 B:TYR1141 3.2 21.6 1.0 CE2 B:TYR1141 3.3 26.1 1.0 CG2 B:VAL1138 3.4 22.6 1.0 CG B:PRO1074 3.4 19.1 1.0 CG B:ARG1137 3.5 28.4 1.0 CBE B:JHL1201 3.6 20.1 1.0 CBI B:JHL1201 3.6 19.6 1.0 NE B:ARG1137 4.0 40.9 1.0 N B:VAL1138 4.0 22.0 1.0 CB B:ARG1137 4.0 28.1 1.0 CD B:ARG1137 4.0 36.4 1.0 CA B:VAL1138 4.1 24.4 1.0 CD B:PRO1074 4.1 19.6 1.0 CBJ B:JHL1201 4.1 23.1 1.0 CZ B:ARG1137 4.1 36.8 1.0 CG B:TYR1141 4.2 22.9 1.0 C B:ARG1137 4.2 24.8 1.0 CZ B:TYR1141 4.3 24.6 1.0 CB B:PRO1074 4.4 17.1 1.0 CB B:VAL1138 4.4 18.9 1.0 NH1 B:ARG1137 4.4 33.0 1.0 O B:ARG1137 4.5 23.4 1.0 NH2 B:ARG1137 4.6 29.8 1.0 NAZ B:JHL1201 4.8 20.0 1.0 CA B:ARG1137 4.8 23.8 1.0 CB B:TYR1141 4.8 19.4 1.0 O B:HOH1369 4.9 31.9 1.0

Fluorine binding site 4 out of 4 in the Bromodomain of EP300 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Bromodomain of EP300 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:22.4 occ:1.00 FBK B:JHL1201 0.0 22.4 1.0 CBH B:JHL1201 1.4 20.9 1.0 CBG B:JHL1201 2.4 20.9 1.0 CBI B:JHL1201 2.4 19.6 1.0 FBL B:JHL1201 2.7 25.1 1.0 CE2 B:TYR1141 3.2 26.1 1.0 CD B:PRO1074 3.3 19.6 1.0 O B:PRO1070 3.4 19.6 1.0 CD2 B:TYR1141 3.5 21.6 1.0 CB B:LEU1073 3.6 18.2 1.0 CBJ B:JHL1201 3.6 23.1 1.0 CBF B:JHL1201 3.6 24.5 1.0 NH2 B:ARG1137 3.7 29.8 1.0 CG B:PRO1074 3.8 19.1 1.0 CZ B:ARG1137 4.0 36.8 1.0 CBE B:JHL1201 4.1 20.1 1.0 N B:PRO1074 4.2 14.9 1.0 CB B:PRO1070 4.3 17.5 1.0 CD1 B:LEU1073 4.3 19.1 1.0 C B:PRO1070 4.4 21.9 1.0 CZ B:TYR1141 4.4 24.6 1.0 NE B:ARG1137 4.4 40.9 1.0 CG B:LEU1073 4.5 22.3 1.0 NH1 B:ARG1137 4.5 33.0 1.0 CA B:LEU1073 4.5 20.6 1.0 C B:LEU1073 4.6 18.1 1.0 OH B:TYR1141 4.8 30.3 1.0 CB B:PRO1074 4.8 17.1 1.0 N B:LEU1073 4.8 17.6 1.0 CA B:PRO1070 4.9 24.8 1.0 CG B:TYR1141 4.9 22.9 1.0 CAW B:JHL1201 4.9 23.5 1.0

E.Schonbrunn, M.Bikowitz. Group 3 Medulloblastoma Transcriptional Networks Are Sensitive to EP300/Cbp Bromodomain Inhibition To Be Published.